N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine

C67H110F3NP2Si4 — CID 169187865

IUPACN,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC[Si](CCC)(CCC)c1ccc(P(c2ccc([Si](CCC)(CCC)CCC)cc2)N(C2CCCC(C(F)(F)F)C2)P(c2ccc([Si](CCC)(CCC)CCC)cc2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1
InChIInChI=1S/C67H110F3NP2Si4/c1-13-44-74(45-14-2,46-15-3)63-36-28-59(29-37-63)72(60-30-38-64(39-31-60)75(47-16-4,48-17-5)49-18-6)71(58-27-25-26-57(56-58)67(68,69)70)73(61-32-40-65(41-33-61)76(50-19-7,51-20-8)52-21-9)62-34-42-66(43-35-62)77(53-22-10,54-23-11)55-24-12/h28-43,57-58H,13-27,44-56H2,1-12H3
InChIKeyUOVFLQNFPQLLRS-UHFFFAOYSA-N
MW1160.91 g/mol
LogP19.05
Rot. Bonds35

About N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine

N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 169187865) has the molecular formula C67H110F3NP2Si4 and a molecular weight of 1160.91 g/mol. Its IUPAC name is N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID169187865
Molecular FormulaC67H110F3NP2Si4
Molecular Weight1160.91 g/mol
Exact Mass1159.71
IUPAC NameN,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC[Si](CCC)(CCC)c1ccc(P(c2ccc([Si](CCC)(CCC)CCC)cc2)N(C2CCCC(C(F)(F)F)C2)P(c2ccc([Si](CCC)(CCC)CCC)cc2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1
InChIInChI=1S/C67H110F3NP2Si4/c1-13-44-74(45-14-2,46-15-3)63-36-28-59(29-37-63)72(60-30-38-64(39-31-60)75(47-16-4,48-17-5)49-18-6)71(58-27-25-26-57(56-58)67(68,69)70)73(61-32-40-65(41-33-61)76(50-19-7,51-20-8)52-21-9)62-34-42-66(43-35-62)77(53-22-10,54-23-11)55-24-12/h28-43,57-58H,13-27,44-56H2,1-12H3
InChIKeyUOVFLQNFPQLLRS-UHFFFAOYSA-N
XLogP19.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds35
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001160.91
LogP ≤ 519.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 169187865) is N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine is CCC[Si](CCC)(CCC)c1ccc(P(c2ccc([Si](CCC)(CCC)CCC)cc2)N(C2CCCC(C(F)(F)F)C2)P(c2ccc([Si](CCC)(CCC)CCC)cc2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1.
What is the InChIKey of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is UOVFLQNFPQLLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H110F3NP2Si4/c1-13-44-74(45-14-2,46-15-3)63-36-28-59(29-37-63)72(60-30-38-64(39-31-60)75(47-16-4,48-17-5)49-18-6)71(58-27-25-26-57(56-58)67(68,69)70)73(61-32-40-65(41-33-61)76(50-19-7,51-20-8)52-21-9)62-34-42-66(43-35-62)77(53-22-10,54-23-11)55-24-12/h28-43,57-58H,13-27,44-56H2,1-12H3.
What are the key properties of N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 1160.91 g/mol, XLogP of 19.05, 35 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 169187865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).